HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,3-Dichloroisoquinoline
oroisoquinoL · TIMTEC-BB SBB003563 · 1,3-DICHLOROISOQUINOLINE · isoquinoline, 1,3-dichloro- · 1,3-Dichloroisoquinoline,97% · 1,3-Dichloroisoquinoline >7742-73-6 1,3-Dichloroisoquinoline · 1,3-Dichloroisoquinoline ISO 9001：2015 REACH · 4-(AMINOMETHYL)-4-HYDROXY-1-METHYLPIPERIDINE
Identifikatoren & physikalische Daten
| CAS No. | 7742-73-6 |
|---|---|
| Summenformel | C9H5Cl2N |
| Durchschnittliche Molmasse | 198,05 g/mol |
| Monoisotopische Masse | 196,97990452 g/mol |
| SMILES | Clc1cc2ccccc2c(Cl)n1 |
| InChIKey | BRGZEQXWZWBPJH-UHFFFAOYSA-N |
| PubChem CID | 298625 |
| EC No. | 627-814-4 |
| DTXSID | DTXSID20305468 |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 163 |
| Schmelzpunkt | 121-122 °C (lit.) |
| Siedepunkt | 307°C(lit.) |
| Dichte | 1.407±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | -1.49±0.50(Predicted) |
| Farbe | Light yellow to Brown to Dark green |
| InChI | InChI=1S/C9H5Cl2N/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-5H |
| InChIKey | BRGZEQXWZWBPJH-UHFFFAOYSA-N |
| SMILES | C1(Cl)C2=C(C=CC=C2)C=C(Cl)N=1 |
| CAS Datenbank | 7742-73-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29163990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1,3-Dichloroisoquinoline may be used in the facile synthesis of 1,3,4-trisubstituted isoquinoline derivatives.